1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine

C21H31NOSi — CID 11131656

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
SMILESCC(C)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H31NOSi/c1-17(2)20(22)16-23-24(21(3,4)5,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16,22H2,1-5H3
InChIKeyYYZBXQUDJCRXCL-UHFFFAOYSA-N
MW341.57 g/mol
LogP3.55
Rot. Bonds6

About 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine

1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine (PubChem CID 11131656) has the molecular formula C21H31NOSi and a molecular weight of 341.57 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
PubChem CID11131656
Molecular FormulaC21H31NOSi
Molecular Weight341.57 g/mol
Exact Mass341.22
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
SMILESCC(C)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H31NOSi/c1-17(2)20(22)16-23-24(21(3,4)5,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16,22H2,1-5H3
InChIKeyYYZBXQUDJCRXCL-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine (CID 11131656) is 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine is CC(C)C(N)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine?
The InChIKey is YYZBXQUDJCRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NOSi/c1-17(2)20(22)16-23-24(21(3,4)5,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16,22H2,1-5H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine?
1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine has a molecular weight of 341.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine is sourced from PubChem (CID 11131656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).